NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52936 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 43 |
data_2oed_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oed
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2oed 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oed
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2oed "Master copy" parsed_2oed
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oed
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2oed.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . n/a 2 protocol "structure calculation" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . "MR format" 20 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oed 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2oed
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 17.168 16.168 18.168 . . GB3N 3 . HN GB3N 3 . N parsed_2oed 1
2 . . . . . . . . . . . . . . . . 21.874 20.874 22.874 . . GB3N 4 . HN GB3N 4 . N parsed_2oed 1
3 . . . . . . . . . . . . . . . . 20.181 19.181 21.181 . . GB3N 5 . HN GB3N 5 . N parsed_2oed 1
4 . . . . . . . . . . . . . . . . 17.237 16.237 18.237 . . GB3N 6 . HN GB3N 6 . N parsed_2oed 1
5 . . . . . . . . . . . . . . . . 16.428 15.428 17.428 . . GB3N 7 . HN GB3N 7 . N parsed_2oed 1
6 . . . . . . . . . . . . . . . . 5.470 4.470 6.470 . . GB3N 8 . HN GB3N 8 . N parsed_2oed 1
7 . . . . . . . . . . . . . . . . 12.408 11.408 13.408 . . GB3N 9 . HN GB3N 9 . N parsed_2oed 1
8 . . . . . . . . . . . . . . . . 16.178 15.178 17.178 . . GB3N 12 . HN GB3N 12 . N parsed_2oed 1
9 . . . . . . . . . . . . . . . . 15.896 14.896 16.896 . . GB3N 13 . HN GB3N 13 . N parsed_2oed 1
10 . . . . . . . . . . . . . . . . 19.671 18.671 20.671 . . GB3N 14 . HN GB3N 14 . N parsed_2oed 1
11 . . . . . . . . . . . . . . . . 19.811 18.811 20.811 . . GB3N 15 . HN GB3N 15 . N parsed_2oed 1
12 . . . . . . . . . . . . . . . . 21.622 20.622 22.622 . . GB3N 16 . HN GB3N 16 . N parsed_2oed 1
13 . . . . . . . . . . . . . . . . 21.296 20.296 22.296 . . GB3N 17 . HN GB3N 17 . N parsed_2oed 1
14 . . . . . . . . . . . . . . . . 19.770 18.770 20.770 . . GB3N 18 . HN GB3N 18 . N parsed_2oed 1
15 . . . . . . . . . . . . . . . . 19.137 18.137 20.137 . . GB3N 19 . HN GB3N 19 . N parsed_2oed 1
16 . . . . . . . . . . . . . . . . 12.772 11.772 13.772 . . GB3N 20 . HN GB3N 20 . N parsed_2oed 1
17 . . . . . . . . . . . . . . . . 14.060 13.060 15.060 . . GB3N 21 . HN GB3N 21 . N parsed_2oed 1
18 . . . . . . . . . . . . . . . . 7.346 6.346 8.346 . . GB3N 22 . HN GB3N 22 . N parsed_2oed 1
19 . . . . . . . . . . . . . . . . 10.892 9.892 11.892 . . GB3N 23 . HN GB3N 23 . N parsed_2oed 1
20 . . . . . . . . . . . . . . . . -20.215 -21.215 -19.215 . . GB3N 28 . HN GB3N 28 . N parsed_2oed 1
21 . . . . . . . . . . . . . . . . -2.426 -3.426 -1.426 . . GB3N 29 . HN GB3N 29 . N parsed_2oed 1
22 . . . . . . . . . . . . . . . . 0.908 -0.092 1.908 . . GB3N 30 . HN GB3N 30 . N parsed_2oed 1
23 . . . . . . . . . . . . . . . . -18.406 -19.406 -17.406 . . GB3N 31 . HN GB3N 31 . N parsed_2oed 1
24 . . . . . . . . . . . . . . . . -20.754 -21.754 -19.754 . . GB3N 32 . HN GB3N 32 . N parsed_2oed 1
25 . . . . . . . . . . . . . . . . -6.338 -7.338 -5.338 . . GB3N 33 . HN GB3N 33 . N parsed_2oed 1
26 . . . . . . . . . . . . . . . . -5.420 -6.420 -4.420 . . GB3N 34 . HN GB3N 34 . N parsed_2oed 1
27 . . . . . . . . . . . . . . . . -23.762 -24.762 -22.762 . . GB3N 35 . HN GB3N 35 . N parsed_2oed 1
28 . . . . . . . . . . . . . . . . -15.885 -16.885 -14.885 . . GB3N 36 . HN GB3N 36 . N parsed_2oed 1
29 . . . . . . . . . . . . . . . . -20.376 -21.376 -19.376 . . GB3N 38 . HN GB3N 38 . N parsed_2oed 1
30 . . . . . . . . . . . . . . . . -11.010 -12.010 -10.010 . . GB3N 42 . HN GB3N 42 . N parsed_2oed 1
31 . . . . . . . . . . . . . . . . 12.075 11.075 13.075 . . GB3N 43 . HN GB3N 43 . N parsed_2oed 1
32 . . . . . . . . . . . . . . . . 18.342 17.342 19.342 . . GB3N 44 . HN GB3N 44 . N parsed_2oed 1
33 . . . . . . . . . . . . . . . . 19.799 18.799 20.799 . . GB3N 45 . HN GB3N 45 . N parsed_2oed 1
34 . . . . . . . . . . . . . . . . 20.868 19.868 21.868 . . GB3N 46 . HN GB3N 46 . N parsed_2oed 1
35 . . . . . . . . . . . . . . . . 15.362 14.362 16.362 . . GB3N 47 . HN GB3N 47 . N parsed_2oed 1
36 . . . . . . . . . . . . . . . . -10.992 -11.992 -9.992 . . GB3N 48 . HN GB3N 48 . N parsed_2oed 1
37 . . . . . . . . . . . . . . . . -2.067 -3.067 -1.067 . . GB3N 49 . HN GB3N 49 . N parsed_2oed 1
38 . . . . . . . . . . . . . . . . 19.409 18.409 20.409 . . GB3N 50 . HN GB3N 50 . N parsed_2oed 1
39 . . . . . . . . . . . . . . . . 21.409 20.409 22.409 . . GB3N 51 . HN GB3N 51 . N parsed_2oed 1
40 . . . . . . . . . . . . . . . . 18.507 17.507 19.507 . . GB3N 52 . HN GB3N 52 . N parsed_2oed 1
41 . . . . . . . . . . . . . . . . 16.459 15.459 17.459 . . GB3N 53 . HN GB3N 53 . N parsed_2oed 1
42 . . . . . . . . . . . . . . . . 15.767 14.767 16.767 . . GB3N 54 . HN GB3N 54 . N parsed_2oed 1
43 . . . . . . . . . . . . . . . . 9.279 8.279 10.279 . . GB3N 55 . HN GB3N 55 . N parsed_2oed 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 rcds_A_NHN.dat 2 1 2 17 parsed_2oed 1
2
;
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 10 and name HN )
( segi GB3N and resi 10 and name N ) 5.028 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 11 and name HN )
( segi GB3N and resi 11 and name N ) -7.451 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 24 and name HN )
( segi GB3N and resi 24 and name N ) -13.218 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 26 and name HN )
( segi GB3N and resi 26 and name N ) 7.253 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 39 and name HN )
( segi GB3N and resi 39 and name N ) -26.871 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 40 and name HN )
( segi GB3N and resi 40 and name N ) -25.108 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 41 and name HN )
( segi GB3N and resi 41 and name N ) -22.136 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 56 and name HN )
( segi GB3N and resi 56 and name N ) 13.482 1.0 1.0 1
;
304 1 304 1 parsed_2oed 1
stop_
save_
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